SCHEMBL4302974

SCHEMBL4302974

C=CCNC(=O)[N]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4071067 0.76 SMN1; SMN2 (0.46) HPGDLMNAALDH1A1POLBCYP1A2
SCHEMBL4588132 0.76 GSK3B (0.41) LMNAALDH1A1MAPTGAARAB9A
SCHEMBL7984182 0.74 GAA (0.52) HPGDLMNAALDH1A1POLBCYP1A2
SCHEMBL3166632 0.74 POLB (0.44) LMNAALDH1A1POLBMAPTHTT
SCHEMBL1515208 0.72 MAPT (0.41) LMNAALDH1A1POLBMAPTGAA
SCHEMBL83922 0.72 HPGD (0.86) HPGDLMNAALDH1A1POLBCYP1A2
SCHEMBL1362962 0.72 CYP3A4 (0.40) HPGDLMNAALDH1A1POLBGAA
SCHEMBL14340617 0.71 MAPT (0.47) HPGDLMNAALDH1A1MAPTGAA
SCHEMBL75884 0.71 SMN1; SMN2 (0.54) LMNAALDH1A1CYP1A2MAPTGAA
SCHEMBL1649522 0.70 EPHX1 (0.59) HPGDLMNAALDH1A1POLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
EP-0876347-B1 QUINOLINE DERIVATIVES GLAXOSMITHKLINE SPA (IT) 2005-03-02 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
US-6277862-B1 METABOLICALLY STABLE NON-PEPTIDE NEUROKININ (NK-2 AND NK-3) ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2001-08-21 US disclosed
EP-0876347-A1 QUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1998-11-11 EP disclosed
WO-1997021680-A9 QUINOLINE DERIVATIVES 1997-09-12 WO disclosed
WO-1997021680-A1 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HPGD 3959/4885LMNA 1992/4885ALDH1A1 2929/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885LMNA 2240/4885ALDH1A1 2196/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HPGD 3365/4885LMNA 2510/4885ALDH1A1 1704/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885LMNA 2240/4885ALDH1A1 2196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.